Vitas-M small molecule compound
4-methoxybenzyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK028006
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H26BrNO6 MW 528.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrNO6/c1-14-22(26(31)34-13-15-7-9-17(32-2)10-8-15)23(24-19(28-14)5-4-6-20(24)29)16-11-18(27)25(30)21(12-16)33-3/h7-12,23,28,30H,4-6,13H2,1-3H3InChIKey
AQYWUKMDLJFWHS-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCC4=CC=C(C=C4)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CCC2
InChI=1SC26H26BrNO6c11422(26(31)3413157917(322)10815)23(2419(2814)54620(24)29)161118(27)25(30)21(1216)333h712232830H4613H213H3
MFCD01445687
STK028006
ZINC000000659106
ZINC000000659111
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